USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= -4.76! C(o=-5.1!,f=-5.7!) USER MOD Set 1.2: A 37 CYS SG : rot -160:sc= -0.293 USER MOD Set 2.1: A 16 HIS :FLIP no HD1:sc= -1.2 F(o=-2.6!,f=-1.6) USER MOD Set 2.2: A 64 GLN :FLIP amide:sc= -0.359 F(o=-3.4!,f=-1.6) USER MOD Single : A 13 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.6!) USER MOD Single : A 17 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.22) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.129 (180deg=-0.668) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.31) USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= -1.49 (180deg=-4.86!) USER MOD Single : A 42 THR OG1 : rot -76:sc= 0.347 USER MOD Single : A 43 THR OG1 : rot 84:sc= 0.948 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.15 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 148:sc= -6.62 (180deg=-10.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.147 K(o=-0.15,f=-1) USER MOD Single : A 58 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-4.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HE2:sc= -4.04! C(o=-5.2!,f=-4!) USER MOD Single : A 69 MET CE :methyl 180:sc= -5.26! (180deg=-5.26!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -6.067 18.272 0.304 1.00 0.00 N ATOM 99 CA GLY A 10 -6.434 17.858 -1.038 1.00 0.00 C ATOM 100 C GLY A 10 -5.685 16.619 -1.487 1.00 0.00 C ATOM 101 O GLY A 10 -6.258 15.538 -1.626 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.506 17.664 -1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.233 18.672 -1.734 1.00 0.00 H new ATOM 105 N PRO A 11 -4.374 16.769 -1.724 1.00 0.00 N ATOM 106 CA PRO A 11 -3.518 15.664 -2.165 1.00 0.00 C ATOM 107 C PRO A 11 -3.301 14.625 -1.069 1.00 0.00 C ATOM 108 O PRO A 11 -3.038 13.455 -1.351 1.00 0.00 O ATOM 109 CB PRO A 11 -2.198 16.355 -2.515 1.00 0.00 C ATOM 110 CG PRO A 11 -2.190 17.596 -1.690 1.00 0.00 C ATOM 111 CD PRO A 11 -3.625 18.029 -1.579 1.00 0.00 C ATOM 0 HA PRO A 11 -3.960 15.113 -2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.344 15.719 -2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.142 16.586 -3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.762 17.407 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.583 18.372 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.827 18.509 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.890 18.746 -2.356 1.00 0.00 H new ATOM 119 N LEU A 12 -3.412 15.060 0.181 1.00 0.00 N ATOM 120 CA LEU A 12 -3.229 14.167 1.320 1.00 0.00 C ATOM 121 C LEU A 12 -4.371 13.160 1.413 1.00 0.00 C ATOM 122 O LEU A 12 -4.145 11.969 1.620 1.00 0.00 O ATOM 123 CB LEU A 12 -3.139 14.974 2.617 1.00 0.00 C ATOM 124 CG LEU A 12 -1.811 15.687 2.874 1.00 0.00 C ATOM 125 CD1 LEU A 12 -1.970 16.738 3.961 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.732 14.683 3.254 1.00 0.00 C ATOM 0 H LEU A 12 -3.628 16.025 0.432 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.298 13.620 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.934 15.720 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.336 14.303 3.453 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.506 16.188 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.014 17.234 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.711 17.474 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.298 16.260 4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.206 15.208 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.030 14.153 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.598 13.968 2.442 1.00 0.00 H new ATOM 138 N ASN A 13 -5.597 13.648 1.255 1.00 0.00 N ATOM 139 CA ASN A 13 -6.775 12.790 1.319 1.00 0.00 C ATOM 140 C ASN A 13 -6.857 11.888 0.091 1.00 0.00 C ATOM 141 O ASN A 13 -7.331 10.753 0.172 1.00 0.00 O ATOM 142 CB ASN A 13 -8.043 13.638 1.429 1.00 0.00 C ATOM 143 CG ASN A 13 -9.280 12.798 1.682 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.477 11.757 1.054 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.121 13.247 2.606 1.00 0.00 N ATOM 0 H ASN A 13 -5.801 14.632 1.082 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.689 12.161 2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.925 14.359 2.238 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.176 14.208 0.510 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.970 12.724 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.918 14.115 3.102 1.00 0.00 H new ATOM 152 N LEU A 14 -6.393 12.398 -1.044 1.00 0.00 N ATOM 153 CA LEU A 14 -6.414 11.639 -2.289 1.00 0.00 C ATOM 154 C LEU A 14 -5.650 10.327 -2.140 1.00 0.00 C ATOM 155 O LEU A 14 -6.108 9.276 -2.588 1.00 0.00 O ATOM 156 CB LEU A 14 -5.810 12.467 -3.425 1.00 0.00 C ATOM 157 CG LEU A 14 -6.784 13.354 -4.200 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.030 14.407 -4.996 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.656 12.511 -5.120 1.00 0.00 C ATOM 0 H LEU A 14 -5.997 13.334 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.452 11.409 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.026 13.100 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.331 11.786 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.430 13.863 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.740 15.029 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.449 15.030 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.359 13.918 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.343 13.159 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.025 11.975 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.225 11.795 -4.527 1.00 0.00 H new ATOM 171 N ALA A 15 -4.485 10.396 -1.504 1.00 0.00 N ATOM 172 CA ALA A 15 -3.660 9.213 -1.292 1.00 0.00 C ATOM 173 C ALA A 15 -4.291 8.281 -0.263 1.00 0.00 C ATOM 174 O ALA A 15 -4.056 7.073 -0.278 1.00 0.00 O ATOM 175 CB ALA A 15 -2.261 9.618 -0.852 1.00 0.00 C ATOM 0 H ALA A 15 -4.091 11.258 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.591 8.674 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.655 8.725 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.803 10.238 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.321 10.181 0.079 1.00 0.00 H new ATOM 181 N HIS A 16 -5.093 8.851 0.631 1.00 0.00 N ATOM 182 CA HIS A 16 -5.758 8.070 1.669 1.00 0.00 C ATOM 183 C HIS A 16 -6.833 7.171 1.066 1.00 0.00 C ATOM 184 O HIS A 16 -6.952 6.001 1.430 1.00 0.00 O ATOM 185 CB HIS A 16 -6.380 8.997 2.714 1.00 0.00 C ATOM 186 CG HIS A 16 -5.375 9.828 3.450 1.00 0.00 C ATOM 187 ND1 HIS A 16 -4.032 9.924 3.310 1.00 0.00 N flip ATOM 188 CD2 HIS A 16 -5.714 10.691 4.471 1.00 0.00 C flip ATOM 189 CE1 HIS A 16 -3.589 10.835 4.238 1.00 0.00 C flip ATOM 190 NE2 HIS A 16 -4.624 11.283 4.925 1.00 0.00 N flip ATOM 0 H HIS A 16 -5.298 9.850 0.658 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.010 7.440 2.151 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.095 9.657 2.223 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.940 8.398 3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.715 10.857 4.842 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.562 11.136 4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.588 11.970 5.678 1.00 0.00 H new ATOM 199 N GLN A 17 -7.613 7.725 0.144 1.00 0.00 N ATOM 200 CA GLN A 17 -8.679 6.972 -0.508 1.00 0.00 C ATOM 201 C GLN A 17 -8.201 5.577 -0.896 1.00 0.00 C ATOM 202 O GLN A 17 -8.697 4.576 -0.379 1.00 0.00 O ATOM 203 CB GLN A 17 -9.174 7.718 -1.748 1.00 0.00 C ATOM 204 CG GLN A 17 -9.743 9.095 -1.444 1.00 0.00 C ATOM 205 CD GLN A 17 -10.334 9.765 -2.668 1.00 0.00 C ATOM 206 OE1 GLN A 17 -11.075 9.146 -3.432 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.010 11.039 -2.860 1.00 0.00 N ATOM 0 H GLN A 17 -7.527 8.692 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.503 6.870 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.349 7.823 -2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.939 7.119 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.512 9.005 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.955 9.727 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.392 11.513 -2.201 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.379 11.543 -3.666 1.00 0.00 H new ATOM 216 N GLN A 18 -7.237 5.520 -1.808 1.00 0.00 N ATOM 217 CA GLN A 18 -6.693 4.246 -2.266 1.00 0.00 C ATOM 218 C GLN A 18 -5.993 3.513 -1.127 1.00 0.00 C ATOM 219 O GLN A 18 -6.014 2.284 -1.061 1.00 0.00 O ATOM 220 CB GLN A 18 -5.717 4.470 -3.421 1.00 0.00 C ATOM 221 CG GLN A 18 -4.351 4.968 -2.976 1.00 0.00 C ATOM 222 CD GLN A 18 -3.402 5.187 -4.138 1.00 0.00 C ATOM 223 OE1 GLN A 18 -2.812 6.258 -4.279 1.00 0.00 O ATOM 224 NE2 GLN A 18 -3.250 4.170 -4.978 1.00 0.00 N ATOM 0 H GLN A 18 -6.816 6.340 -2.245 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.522 3.630 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.593 3.535 -3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.149 5.191 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.470 5.903 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.913 4.247 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.759 3.300 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.624 4.259 -5.778 1.00 0.00 H new ATOM 233 N SER A 19 -5.372 4.275 -0.232 1.00 0.00 N ATOM 234 CA SER A 19 -4.661 3.697 0.902 1.00 0.00 C ATOM 235 C SER A 19 -5.589 2.818 1.735 1.00 0.00 C ATOM 236 O SER A 19 -5.197 1.747 2.199 1.00 0.00 O ATOM 237 CB SER A 19 -4.067 4.803 1.776 1.00 0.00 C ATOM 238 OG SER A 19 -3.245 4.262 2.796 1.00 0.00 O ATOM 0 H SER A 19 -5.347 5.294 -0.270 1.00 0.00 H new ATOM 0 HA SER A 19 -3.853 3.077 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.483 5.485 1.158 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.871 5.388 2.224 1.00 0.00 H new ATOM 0 HG SER A 19 -2.876 4.990 3.339 1.00 0.00 H new ATOM 244 N ARG A 20 -6.821 3.280 1.920 1.00 0.00 N ATOM 245 CA ARG A 20 -7.806 2.537 2.698 1.00 0.00 C ATOM 246 C ARG A 20 -8.113 1.193 2.045 1.00 0.00 C ATOM 247 O ARG A 20 -8.610 0.274 2.697 1.00 0.00 O ATOM 248 CB ARG A 20 -9.093 3.352 2.842 1.00 0.00 C ATOM 249 CG ARG A 20 -9.016 4.429 3.911 1.00 0.00 C ATOM 250 CD ARG A 20 -9.188 3.845 5.304 1.00 0.00 C ATOM 251 NE ARG A 20 -9.741 4.818 6.242 1.00 0.00 N ATOM 252 CZ ARG A 20 -9.003 5.701 6.905 1.00 0.00 C ATOM 253 NH1 ARG A 20 -7.689 5.734 6.734 1.00 0.00 N ATOM 254 NH2 ARG A 20 -9.581 6.555 7.741 1.00 0.00 N ATOM 0 H ARG A 20 -7.161 4.164 1.542 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.387 2.353 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.327 3.818 1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.916 2.677 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.055 4.940 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.788 5.177 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.844 2.976 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.223 3.495 5.672 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.749 4.820 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.242 5.080 6.092 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.125 6.413 7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.592 6.533 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.014 7.233 8.250 1.00 0.00 H new ATOM 268 N ARG A 21 -7.814 1.085 0.755 1.00 0.00 N ATOM 269 CA ARG A 21 -8.060 -0.146 0.013 1.00 0.00 C ATOM 270 C ARG A 21 -6.873 -1.098 0.132 1.00 0.00 C ATOM 271 O ARG A 21 -7.045 -2.295 0.359 1.00 0.00 O ATOM 272 CB ARG A 21 -8.332 0.166 -1.459 1.00 0.00 C ATOM 273 CG ARG A 21 -8.283 -1.058 -2.360 1.00 0.00 C ATOM 274 CD ARG A 21 -7.809 -0.700 -3.760 1.00 0.00 C ATOM 275 NE ARG A 21 -8.924 -0.407 -4.657 1.00 0.00 N ATOM 276 CZ ARG A 21 -8.775 0.128 -5.864 1.00 0.00 C ATOM 277 NH1 ARG A 21 -7.565 0.426 -6.316 1.00 0.00 N ATOM 278 NH2 ARG A 21 -9.838 0.364 -6.622 1.00 0.00 N ATOM 0 H ARG A 21 -7.401 1.835 0.201 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.937 -0.630 0.442 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.313 0.633 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.600 0.894 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.615 -1.803 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.273 -1.511 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.148 0.165 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.224 -1.525 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.868 -0.625 -4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.745 0.245 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.454 0.837 -7.243 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.771 0.135 -6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.723 0.775 -7.548 1.00 0.00 H new ATOM 292 N ALA A 22 -5.669 -0.556 -0.024 1.00 0.00 N ATOM 293 CA ALA A 22 -4.454 -1.357 0.067 1.00 0.00 C ATOM 294 C ALA A 22 -4.453 -2.211 1.330 1.00 0.00 C ATOM 295 O ALA A 22 -4.080 -3.384 1.297 1.00 0.00 O ATOM 296 CB ALA A 22 -3.227 -0.458 0.035 1.00 0.00 C ATOM 0 H ALA A 22 -5.509 0.433 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.424 -2.026 -0.793 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.327 -1.069 0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.213 0.105 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.261 0.234 0.876 1.00 0.00 H new ATOM 302 N ASP A 23 -4.872 -1.617 2.442 1.00 0.00 N ATOM 303 CA ASP A 23 -4.919 -2.324 3.716 1.00 0.00 C ATOM 304 C ASP A 23 -5.867 -3.516 3.641 1.00 0.00 C ATOM 305 O ASP A 23 -5.457 -4.662 3.829 1.00 0.00 O ATOM 306 CB ASP A 23 -5.359 -1.377 4.834 1.00 0.00 C ATOM 307 CG ASP A 23 -5.064 -1.932 6.213 1.00 0.00 C ATOM 308 OD1 ASP A 23 -5.719 -2.920 6.607 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.180 -1.378 6.900 1.00 0.00 O ATOM 0 H ASP A 23 -5.184 -0.647 2.487 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.917 -2.692 3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.852 -0.419 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.428 -1.185 4.744 1.00 0.00 H new ATOM 314 N ARG A 24 -7.138 -3.239 3.365 1.00 0.00 N ATOM 315 CA ARG A 24 -8.145 -4.289 3.267 1.00 0.00 C ATOM 316 C ARG A 24 -7.649 -5.438 2.395 1.00 0.00 C ATOM 317 O ARG A 24 -8.030 -6.593 2.594 1.00 0.00 O ATOM 318 CB ARG A 24 -9.446 -3.725 2.695 1.00 0.00 C ATOM 319 CG ARG A 24 -10.112 -2.696 3.595 1.00 0.00 C ATOM 320 CD ARG A 24 -10.806 -3.355 4.776 1.00 0.00 C ATOM 321 NE ARG A 24 -11.918 -4.203 4.354 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.119 -3.735 4.033 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.362 -2.433 4.085 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.079 -4.570 3.658 1.00 0.00 N ATOM 0 H ARG A 24 -7.494 -2.297 3.205 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.333 -4.672 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.240 -3.269 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.141 -4.546 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.365 -1.991 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.838 -2.123 3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.085 -3.953 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.174 -2.586 5.455 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.764 -5.210 4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.626 -1.788 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.285 -2.076 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.895 -5.572 3.616 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.001 -4.210 3.412 1.00 0.00 H new ATOM 338 N LEU A 25 -6.799 -5.115 1.427 1.00 0.00 N ATOM 339 CA LEU A 25 -6.251 -6.120 0.522 1.00 0.00 C ATOM 340 C LEU A 25 -5.188 -6.961 1.223 1.00 0.00 C ATOM 341 O LEU A 25 -5.162 -8.185 1.087 1.00 0.00 O ATOM 342 CB LEU A 25 -5.652 -5.449 -0.715 1.00 0.00 C ATOM 343 CG LEU A 25 -6.653 -4.939 -1.753 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.996 -3.922 -2.673 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.225 -6.097 -2.556 1.00 0.00 C ATOM 0 H LEU A 25 -6.474 -4.165 1.248 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.064 -6.777 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.039 -4.609 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.984 -6.160 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.473 -4.447 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.723 -3.570 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.636 -3.078 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.157 -4.388 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.935 -5.715 -3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.417 -6.618 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.733 -6.789 -1.885 1.00 0.00 H new ATOM 357 N LEU A 26 -4.316 -6.298 1.973 1.00 0.00 N ATOM 358 CA LEU A 26 -3.252 -6.985 2.698 1.00 0.00 C ATOM 359 C LEU A 26 -3.825 -8.055 3.620 1.00 0.00 C ATOM 360 O LEU A 26 -3.224 -9.112 3.810 1.00 0.00 O ATOM 361 CB LEU A 26 -2.431 -5.981 3.510 1.00 0.00 C ATOM 362 CG LEU A 26 -1.730 -6.536 4.750 1.00 0.00 C ATOM 363 CD1 LEU A 26 -0.666 -7.547 4.355 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.119 -5.407 5.567 1.00 0.00 C ATOM 0 H LEU A 26 -4.324 -5.285 2.096 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.603 -7.470 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.677 -5.545 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.090 -5.171 3.822 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.472 -7.044 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.178 -7.931 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.130 -8.371 3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.075 -7.065 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.624 -5.820 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.390 -4.871 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.904 -4.720 5.882 1.00 0.00 H new ATOM 376 N ALA A 27 -4.993 -7.775 4.190 1.00 0.00 N ATOM 377 CA ALA A 27 -5.649 -8.716 5.089 1.00 0.00 C ATOM 378 C ALA A 27 -6.137 -9.948 4.334 1.00 0.00 C ATOM 379 O ALA A 27 -6.054 -11.068 4.836 1.00 0.00 O ATOM 380 CB ALA A 27 -6.809 -8.040 5.806 1.00 0.00 C ATOM 0 H ALA A 27 -5.504 -6.904 4.045 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.919 -9.042 5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.290 -8.755 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.436 -7.195 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.533 -7.685 5.073 1.00 0.00 H new ATOM 386 N ALA A 28 -6.648 -9.732 3.126 1.00 0.00 N ATOM 387 CA ALA A 28 -7.148 -10.825 2.302 1.00 0.00 C ATOM 388 C ALA A 28 -6.020 -11.474 1.508 1.00 0.00 C ATOM 389 O ALA A 28 -6.254 -12.088 0.467 1.00 0.00 O ATOM 390 CB ALA A 28 -8.236 -10.323 1.363 1.00 0.00 C ATOM 0 H ALA A 28 -6.726 -8.810 2.697 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.573 -11.580 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.600 -11.150 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.060 -9.912 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.828 -9.547 0.715 1.00 0.00 H new ATOM 396 N GLY A 29 -4.796 -11.335 2.006 1.00 0.00 N ATOM 397 CA GLY A 29 -3.649 -11.913 1.330 1.00 0.00 C ATOM 398 C GLY A 29 -3.415 -11.304 -0.039 1.00 0.00 C ATOM 399 O GLY A 29 -2.609 -11.807 -0.821 1.00 0.00 O ATOM 0 H GLY A 29 -4.578 -10.832 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.760 -11.771 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.796 -12.988 1.226 1.00 0.00 H new ATOM 403 N LYS A 30 -4.124 -10.219 -0.330 1.00 0.00 N ATOM 404 CA LYS A 30 -3.991 -9.539 -1.613 1.00 0.00 C ATOM 405 C LYS A 30 -2.787 -8.603 -1.611 1.00 0.00 C ATOM 406 O LYS A 30 -2.852 -7.491 -2.136 1.00 0.00 O ATOM 407 CB LYS A 30 -5.263 -8.750 -1.930 1.00 0.00 C ATOM 408 CG LYS A 30 -6.472 -9.629 -2.204 1.00 0.00 C ATOM 409 CD LYS A 30 -6.395 -10.270 -3.580 1.00 0.00 C ATOM 410 CE LYS A 30 -7.780 -10.519 -4.157 1.00 0.00 C ATOM 411 NZ LYS A 30 -8.522 -9.249 -4.388 1.00 0.00 N ATOM 0 H LYS A 30 -4.797 -9.791 0.306 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.839 -10.296 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.488 -8.088 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.081 -8.116 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.538 -10.406 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.381 -9.032 -2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.830 -9.624 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.852 -11.213 -3.513 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.689 -11.062 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.348 -11.153 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.198 -9.379 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.037 -8.986 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.850 -8.494 -4.634 1.00 0.00 H new ATOM 425 N TYR A 31 -1.689 -9.060 -1.020 1.00 0.00 N ATOM 426 CA TYR A 31 -0.470 -8.263 -0.949 1.00 0.00 C ATOM 427 C TYR A 31 -0.181 -7.590 -2.287 1.00 0.00 C ATOM 428 O TYR A 31 -0.258 -6.368 -2.408 1.00 0.00 O ATOM 429 CB TYR A 31 0.715 -9.140 -0.540 1.00 0.00 C ATOM 430 CG TYR A 31 0.467 -9.946 0.715 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.710 -9.404 1.971 1.00 0.00 C ATOM 432 CD2 TYR A 31 -0.008 -11.250 0.645 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.486 -10.137 3.121 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.236 -11.989 1.789 1.00 0.00 C ATOM 435 CZ TYR A 31 0.012 -11.429 3.024 1.00 0.00 C ATOM 436 OH TYR A 31 -0.213 -12.163 4.166 1.00 0.00 O ATOM 0 H TYR A 31 -1.618 -9.979 -0.583 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.616 -7.488 -0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.952 -9.820 -1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.589 -8.507 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.080 -8.393 2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.202 -11.693 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.681 -9.701 4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.607 -13.001 1.717 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.547 -13.052 3.923 1.00 0.00 H new ATOM 446 N GLU A 32 0.150 -8.398 -3.289 1.00 0.00 N ATOM 447 CA GLU A 32 0.451 -7.880 -4.619 1.00 0.00 C ATOM 448 C GLU A 32 -0.455 -6.700 -4.961 1.00 0.00 C ATOM 449 O GLU A 32 0.020 -5.631 -5.343 1.00 0.00 O ATOM 450 CB GLU A 32 0.289 -8.982 -5.668 1.00 0.00 C ATOM 451 CG GLU A 32 0.800 -8.592 -7.045 1.00 0.00 C ATOM 452 CD GLU A 32 0.297 -9.516 -8.137 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.935 -9.585 -8.335 1.00 0.00 O ATOM 454 OE2 GLU A 32 1.133 -10.170 -8.794 1.00 0.00 O ATOM 0 H GLU A 32 0.217 -9.412 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 32 1.485 -7.535 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.820 -9.873 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.765 -9.248 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.491 -7.571 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.890 -8.601 -7.040 1.00 0.00 H new ATOM 461 N GLU A 33 -1.761 -6.904 -4.822 1.00 0.00 N ATOM 462 CA GLU A 33 -2.732 -5.858 -5.118 1.00 0.00 C ATOM 463 C GLU A 33 -2.363 -4.557 -4.412 1.00 0.00 C ATOM 464 O GLU A 33 -2.336 -3.491 -5.027 1.00 0.00 O ATOM 465 CB GLU A 33 -4.135 -6.299 -4.695 1.00 0.00 C ATOM 466 CG GLU A 33 -4.593 -7.588 -5.358 1.00 0.00 C ATOM 467 CD GLU A 33 -4.341 -7.597 -6.853 1.00 0.00 C ATOM 468 OE1 GLU A 33 -3.164 -7.701 -7.256 1.00 0.00 O ATOM 469 OE2 GLU A 33 -5.322 -7.499 -7.620 1.00 0.00 O ATOM 0 H GLU A 33 -2.171 -7.783 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.722 -5.683 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.155 -6.430 -3.613 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.844 -5.506 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.075 -8.431 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.658 -7.729 -5.172 1.00 0.00 H new ATOM 476 N ALA A 34 -2.078 -4.653 -3.118 1.00 0.00 N ATOM 477 CA ALA A 34 -1.708 -3.485 -2.328 1.00 0.00 C ATOM 478 C ALA A 34 -0.373 -2.911 -2.789 1.00 0.00 C ATOM 479 O ALA A 34 -0.248 -1.706 -3.012 1.00 0.00 O ATOM 480 CB ALA A 34 -1.648 -3.844 -0.851 1.00 0.00 C ATOM 0 H ALA A 34 -2.096 -5.528 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.472 -2.722 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.371 -2.962 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.625 -4.200 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.906 -4.627 -0.697 1.00 0.00 H new ATOM 486 N ILE A 35 0.623 -3.779 -2.931 1.00 0.00 N ATOM 487 CA ILE A 35 1.948 -3.358 -3.366 1.00 0.00 C ATOM 488 C ILE A 35 1.858 -2.221 -4.378 1.00 0.00 C ATOM 489 O ILE A 35 2.294 -1.101 -4.110 1.00 0.00 O ATOM 490 CB ILE A 35 2.733 -4.526 -3.991 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.073 -5.569 -2.925 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.000 -4.014 -4.662 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.652 -6.846 -3.492 1.00 0.00 C ATOM 0 H ILE A 35 0.537 -4.779 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 35 2.476 -3.010 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 35 2.109 -4.999 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.785 -5.138 -2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.171 -5.808 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.544 -4.851 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.735 -3.304 -5.446 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.629 -3.519 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.869 -7.539 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.933 -7.300 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.572 -6.620 -4.032 1.00 0.00 H new ATOM 505 N SER A 36 1.289 -2.515 -5.543 1.00 0.00 N ATOM 506 CA SER A 36 1.144 -1.518 -6.597 1.00 0.00 C ATOM 507 C SER A 36 0.270 -0.358 -6.130 1.00 0.00 C ATOM 508 O SER A 36 0.583 0.807 -6.377 1.00 0.00 O ATOM 509 CB SER A 36 0.539 -2.155 -7.850 1.00 0.00 C ATOM 510 OG SER A 36 1.502 -2.925 -8.546 1.00 0.00 O ATOM 0 H SER A 36 0.921 -3.436 -5.781 1.00 0.00 H new ATOM 0 HA SER A 36 2.134 -1.131 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.303 -2.787 -7.570 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.149 -1.376 -8.505 1.00 0.00 H new ATOM 0 HG SER A 36 1.090 -3.323 -9.341 1.00 0.00 H new ATOM 516 N CYS A 37 -0.825 -0.685 -5.453 1.00 0.00 N ATOM 517 CA CYS A 37 -1.745 0.330 -4.951 1.00 0.00 C ATOM 518 C CYS A 37 -0.996 1.406 -4.173 1.00 0.00 C ATOM 519 O CYS A 37 -1.432 2.555 -4.105 1.00 0.00 O ATOM 520 CB CYS A 37 -2.809 -0.314 -4.061 1.00 0.00 C ATOM 521 SG CYS A 37 -4.400 0.546 -4.074 1.00 0.00 S ATOM 0 H CYS A 37 -1.098 -1.644 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.232 0.800 -5.806 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.962 -1.344 -4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.437 -0.352 -3.037 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.082 0.213 -3.019 1.00 0.00 H new ATOM 527 N HIS A 38 0.134 1.025 -3.584 1.00 0.00 N ATOM 528 CA HIS A 38 0.944 1.958 -2.809 1.00 0.00 C ATOM 529 C HIS A 38 1.905 2.724 -3.712 1.00 0.00 C ATOM 530 O HIS A 38 2.068 3.937 -3.575 1.00 0.00 O ATOM 531 CB HIS A 38 1.727 1.210 -1.729 1.00 0.00 C ATOM 532 CG HIS A 38 0.985 1.078 -0.434 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.329 2.131 0.168 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.796 0.008 0.372 1.00 0.00 C ATOM 535 CE1 HIS A 38 -0.230 1.714 1.290 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.038 0.429 1.437 1.00 0.00 N ATOM 0 H HIS A 38 0.509 0.077 -3.629 1.00 0.00 H new ATOM 0 HA HIS A 38 0.274 2.673 -2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.978 0.215 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.668 1.730 -1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.171 -0.991 0.208 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.808 2.321 1.971 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.268 -0.155 2.215 1.00 0.00 H new ATOM 545 N ARG A 39 2.540 2.008 -4.635 1.00 0.00 N ATOM 546 CA ARG A 39 3.486 2.621 -5.559 1.00 0.00 C ATOM 547 C ARG A 39 2.841 3.783 -6.308 1.00 0.00 C ATOM 548 O ARG A 39 3.530 4.652 -6.842 1.00 0.00 O ATOM 549 CB ARG A 39 4.003 1.582 -6.556 1.00 0.00 C ATOM 550 CG ARG A 39 4.777 0.447 -5.907 1.00 0.00 C ATOM 551 CD ARG A 39 5.535 -0.373 -6.940 1.00 0.00 C ATOM 552 NE ARG A 39 6.824 0.226 -7.275 1.00 0.00 N ATOM 553 CZ ARG A 39 7.625 -0.239 -8.228 1.00 0.00 C ATOM 554 NH1 ARG A 39 7.270 -1.302 -8.936 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.782 0.361 -8.475 1.00 0.00 N ATOM 0 H ARG A 39 2.416 1.004 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 39 4.324 3.007 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.158 1.167 -7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.644 2.078 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.478 0.853 -5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.089 -0.199 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.692 -1.382 -6.558 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.932 -0.465 -7.843 1.00 0.00 H new ATOM 0 HE ARG A 39 7.126 1.046 -6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.380 -1.765 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.886 -1.657 -9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.058 1.180 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.396 0.003 -9.207 1.00 0.00 H new ATOM 569 N LYS A 40 1.512 3.793 -6.343 1.00 0.00 N ATOM 570 CA LYS A 40 0.772 4.847 -7.025 1.00 0.00 C ATOM 571 C LYS A 40 0.679 6.097 -6.155 1.00 0.00 C ATOM 572 O LYS A 40 1.034 7.193 -6.587 1.00 0.00 O ATOM 573 CB LYS A 40 -0.633 4.360 -7.388 1.00 0.00 C ATOM 574 CG LYS A 40 -0.709 3.679 -8.743 1.00 0.00 C ATOM 575 CD LYS A 40 -0.462 2.184 -8.630 1.00 0.00 C ATOM 576 CE LYS A 40 -0.851 1.456 -9.908 1.00 0.00 C ATOM 577 NZ LYS A 40 -1.289 0.059 -9.639 1.00 0.00 N ATOM 0 H LYS A 40 0.926 3.082 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 40 1.309 5.100 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.977 3.665 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.317 5.209 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.690 3.854 -9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.027 4.121 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.591 2.004 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.033 1.782 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.655 1.999 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.003 1.445 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.610 -0.605 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.334 -0.099 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.229 -0.096 -10.055 1.00 0.00 H new ATOM 591 N ALA A 41 0.201 5.923 -4.927 1.00 0.00 N ATOM 592 CA ALA A 41 0.066 7.036 -3.995 1.00 0.00 C ATOM 593 C ALA A 41 1.394 7.762 -3.810 1.00 0.00 C ATOM 594 O ALA A 41 1.474 8.981 -3.963 1.00 0.00 O ATOM 595 CB ALA A 41 -0.459 6.542 -2.655 1.00 0.00 C ATOM 0 H ALA A 41 -0.099 5.022 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.649 7.744 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.555 7.384 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.434 6.076 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.235 5.812 -2.239 1.00 0.00 H new ATOM 601 N THR A 42 2.436 7.005 -3.480 1.00 0.00 N ATOM 602 CA THR A 42 3.761 7.577 -3.273 1.00 0.00 C ATOM 603 C THR A 42 4.141 8.512 -4.414 1.00 0.00 C ATOM 604 O THR A 42 4.588 9.637 -4.187 1.00 0.00 O ATOM 605 CB THR A 42 4.833 6.478 -3.145 1.00 0.00 C ATOM 606 OG1 THR A 42 4.608 5.459 -4.126 1.00 0.00 O ATOM 607 CG2 THR A 42 4.816 5.864 -1.754 1.00 0.00 C ATOM 0 H THR A 42 2.388 5.994 -3.350 1.00 0.00 H new ATOM 0 HA THR A 42 3.719 8.143 -2.343 1.00 0.00 H new ATOM 0 HB THR A 42 5.810 6.932 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.861 4.891 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.581 5.091 -1.688 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.017 6.637 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.838 5.423 -1.563 1.00 0.00 H new ATOM 615 N THR A 43 3.961 8.041 -5.645 1.00 0.00 N ATOM 616 CA THR A 43 4.285 8.836 -6.822 1.00 0.00 C ATOM 617 C THR A 43 3.560 10.176 -6.798 1.00 0.00 C ATOM 618 O THR A 43 4.188 11.234 -6.864 1.00 0.00 O ATOM 619 CB THR A 43 3.920 8.091 -8.120 1.00 0.00 C ATOM 620 OG1 THR A 43 4.654 6.864 -8.204 1.00 0.00 O ATOM 621 CG2 THR A 43 4.219 8.951 -9.340 1.00 0.00 C ATOM 0 H THR A 43 3.592 7.113 -5.852 1.00 0.00 H new ATOM 0 HA THR A 43 5.361 9.009 -6.800 1.00 0.00 H new ATOM 0 HB THR A 43 2.852 7.874 -8.100 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.184 6.167 -7.701 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.953 8.404 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.637 9.871 -9.288 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.281 9.194 -9.362 1.00 0.00 H new ATOM 629 N TYR A 44 2.236 10.126 -6.703 1.00 0.00 N ATOM 630 CA TYR A 44 1.425 11.337 -6.672 1.00 0.00 C ATOM 631 C TYR A 44 1.899 12.282 -5.571 1.00 0.00 C ATOM 632 O TYR A 44 1.942 13.499 -5.756 1.00 0.00 O ATOM 633 CB TYR A 44 -0.048 10.985 -6.458 1.00 0.00 C ATOM 634 CG TYR A 44 -0.944 12.194 -6.308 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.910 13.227 -7.236 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.823 12.302 -5.238 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.726 14.334 -7.102 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.644 13.404 -5.097 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.592 14.418 -6.032 1.00 0.00 C ATOM 640 OH TYR A 44 -3.407 15.518 -5.894 1.00 0.00 O ATOM 0 H TYR A 44 1.701 9.259 -6.646 1.00 0.00 H new ATOM 0 HA TYR A 44 1.535 11.842 -7.632 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.396 10.388 -7.301 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.139 10.363 -5.567 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.234 13.164 -8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.865 11.511 -4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.686 15.129 -7.831 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.323 13.472 -4.260 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.620 15.880 -6.779 1.00 0.00 H new ATOM 650 N LEU A 45 2.254 11.712 -4.425 1.00 0.00 N ATOM 651 CA LEU A 45 2.725 12.501 -3.292 1.00 0.00 C ATOM 652 C LEU A 45 4.025 13.223 -3.634 1.00 0.00 C ATOM 653 O LEU A 45 4.228 14.374 -3.250 1.00 0.00 O ATOM 654 CB LEU A 45 2.933 11.604 -2.071 1.00 0.00 C ATOM 655 CG LEU A 45 1.665 11.145 -1.351 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.979 10.014 -0.385 1.00 0.00 C ATOM 657 CD2 LEU A 45 1.016 12.311 -0.619 1.00 0.00 C ATOM 0 H LEU A 45 2.225 10.707 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 45 1.966 13.248 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.488 10.720 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.560 12.137 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 45 0.961 10.773 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.064 9.701 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.397 9.171 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.701 10.358 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.115 11.966 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.714 12.713 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.754 13.090 -1.335 1.00 0.00 H new ATOM 669 N SER A 46 4.902 12.538 -4.362 1.00 0.00 N ATOM 670 CA SER A 46 6.183 13.112 -4.755 1.00 0.00 C ATOM 671 C SER A 46 5.981 14.312 -5.676 1.00 0.00 C ATOM 672 O SER A 46 6.758 15.265 -5.650 1.00 0.00 O ATOM 673 CB SER A 46 7.045 12.059 -5.454 1.00 0.00 C ATOM 674 OG SER A 46 8.414 12.428 -5.438 1.00 0.00 O ATOM 0 H SER A 46 4.748 11.585 -4.691 1.00 0.00 H new ATOM 0 HA SER A 46 6.694 13.449 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.919 11.095 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.710 11.936 -6.484 1.00 0.00 H new ATOM 0 HG SER A 46 8.944 11.738 -5.889 1.00 0.00 H new ATOM 680 N GLU A 47 4.930 14.256 -6.488 1.00 0.00 N ATOM 681 CA GLU A 47 4.626 15.338 -7.418 1.00 0.00 C ATOM 682 C GLU A 47 4.109 16.566 -6.673 1.00 0.00 C ATOM 683 O GLU A 47 4.607 17.675 -6.862 1.00 0.00 O ATOM 684 CB GLU A 47 3.591 14.879 -8.447 1.00 0.00 C ATOM 685 CG GLU A 47 4.200 14.188 -9.656 1.00 0.00 C ATOM 686 CD GLU A 47 4.621 15.165 -10.736 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.964 16.316 -10.394 1.00 0.00 O ATOM 688 OE2 GLU A 47 4.608 14.778 -11.923 1.00 0.00 O ATOM 0 H GLU A 47 4.276 13.474 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 47 5.547 15.609 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.889 14.198 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.017 15.743 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.066 13.607 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.478 13.484 -10.070 1.00 0.00 H new ATOM 695 N ALA A 48 3.105 16.358 -5.827 1.00 0.00 N ATOM 696 CA ALA A 48 2.521 17.446 -5.053 1.00 0.00 C ATOM 697 C ALA A 48 3.604 18.353 -4.478 1.00 0.00 C ATOM 698 O ALA A 48 3.655 19.544 -4.783 1.00 0.00 O ATOM 699 CB ALA A 48 1.648 16.891 -3.937 1.00 0.00 C ATOM 0 H ALA A 48 2.680 15.446 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 48 1.901 18.043 -5.722 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.218 17.715 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.846 16.290 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.253 16.270 -3.277 1.00 0.00 H new ATOM 705 N MET A 49 4.466 17.782 -3.643 1.00 0.00 N ATOM 706 CA MET A 49 5.548 18.541 -3.026 1.00 0.00 C ATOM 707 C MET A 49 6.479 19.120 -4.086 1.00 0.00 C ATOM 708 O MET A 49 7.082 20.175 -3.888 1.00 0.00 O ATOM 709 CB MET A 49 6.340 17.651 -2.066 1.00 0.00 C ATOM 710 CG MET A 49 6.879 16.386 -2.714 1.00 0.00 C ATOM 711 SD MET A 49 7.694 15.294 -1.534 1.00 0.00 S ATOM 712 CE MET A 49 6.459 15.212 -0.240 1.00 0.00 C ATOM 0 H MET A 49 4.437 16.797 -3.378 1.00 0.00 H new ATOM 0 HA MET A 49 5.107 19.366 -2.466 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.173 18.223 -1.657 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.700 17.376 -1.228 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.059 15.850 -3.193 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.584 16.657 -3.499 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.499 14.234 0.239 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.656 15.987 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.470 15.365 -0.671 1.00 0.00 H new ATOM 722 N LYS A 50 6.593 18.424 -5.212 1.00 0.00 N ATOM 723 CA LYS A 50 7.450 18.869 -6.305 1.00 0.00 C ATOM 724 C LYS A 50 6.868 20.105 -6.983 1.00 0.00 C ATOM 725 O LYS A 50 7.454 20.643 -7.924 1.00 0.00 O ATOM 726 CB LYS A 50 7.628 17.747 -7.330 1.00 0.00 C ATOM 727 CG LYS A 50 8.785 16.815 -7.017 1.00 0.00 C ATOM 728 CD LYS A 50 8.722 15.548 -7.853 1.00 0.00 C ATOM 729 CE LYS A 50 9.283 15.773 -9.249 1.00 0.00 C ATOM 730 NZ LYS A 50 9.277 14.523 -10.058 1.00 0.00 N ATOM 0 H LYS A 50 6.102 17.548 -5.392 1.00 0.00 H new ATOM 0 HA LYS A 50 8.423 19.129 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.708 17.165 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.783 18.187 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.728 17.329 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.768 16.555 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.283 14.756 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.688 15.209 -7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.695 16.537 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.302 16.152 -9.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.667 14.719 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.858 13.801 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.302 14.175 -10.152 1.00 0.00 H new ATOM 744 N LEU A 51 5.714 20.552 -6.500 1.00 0.00 N ATOM 745 CA LEU A 51 5.054 21.727 -7.059 1.00 0.00 C ATOM 746 C LEU A 51 4.956 22.841 -6.022 1.00 0.00 C ATOM 747 O LEU A 51 5.317 23.988 -6.290 1.00 0.00 O ATOM 748 CB LEU A 51 3.658 21.359 -7.564 1.00 0.00 C ATOM 749 CG LEU A 51 3.574 20.869 -9.010 1.00 0.00 C ATOM 750 CD1 LEU A 51 4.184 19.482 -9.139 1.00 0.00 C ATOM 751 CD2 LEU A 51 2.130 20.866 -9.489 1.00 0.00 C ATOM 0 H LEU A 51 5.216 20.119 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 51 5.653 22.087 -7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.252 20.584 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.014 22.232 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 51 4.143 21.553 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.115 19.149 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.231 19.515 -8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.644 18.786 -8.498 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.089 20.515 -10.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.538 20.204 -8.856 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.726 21.877 -9.434 1.00 0.00 H new ATOM 763 N THR A 52 4.466 22.497 -4.835 1.00 0.00 N ATOM 764 CA THR A 52 4.320 23.468 -3.758 1.00 0.00 C ATOM 765 C THR A 52 5.673 24.038 -3.346 1.00 0.00 C ATOM 766 O THR A 52 6.615 23.293 -3.079 1.00 0.00 O ATOM 767 CB THR A 52 3.643 22.840 -2.524 1.00 0.00 C ATOM 768 OG1 THR A 52 3.006 23.858 -1.745 1.00 0.00 O ATOM 769 CG2 THR A 52 4.659 22.100 -1.667 1.00 0.00 C ATOM 0 H THR A 52 4.164 21.553 -4.595 1.00 0.00 H new ATOM 0 HA THR A 52 3.690 24.272 -4.139 1.00 0.00 H new ATOM 0 HB THR A 52 2.896 22.126 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.577 23.451 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.158 21.665 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.122 21.307 -2.255 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.426 22.797 -1.329 1.00 0.00 H new ATOM 777 N GLU A 53 5.760 25.363 -3.296 1.00 0.00 N ATOM 778 CA GLU A 53 6.999 26.033 -2.916 1.00 0.00 C ATOM 779 C GLU A 53 7.081 26.208 -1.402 1.00 0.00 C ATOM 780 O GLU A 53 8.169 26.233 -0.827 1.00 0.00 O ATOM 781 CB GLU A 53 7.101 27.395 -3.605 1.00 0.00 C ATOM 782 CG GLU A 53 6.955 27.326 -5.116 1.00 0.00 C ATOM 783 CD GLU A 53 6.656 28.677 -5.735 1.00 0.00 C ATOM 784 OE1 GLU A 53 7.613 29.441 -5.982 1.00 0.00 O ATOM 785 OE2 GLU A 53 5.466 28.971 -5.973 1.00 0.00 O ATOM 0 H GLU A 53 4.988 25.994 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 53 7.833 25.409 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.331 28.054 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.064 27.844 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.873 26.928 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.155 26.630 -5.369 1.00 0.00 H new ATOM 792 N SER A 54 5.921 26.331 -0.763 1.00 0.00 N ATOM 793 CA SER A 54 5.861 26.508 0.683 1.00 0.00 C ATOM 794 C SER A 54 6.545 25.350 1.402 1.00 0.00 C ATOM 795 O SER A 54 6.565 24.224 0.906 1.00 0.00 O ATOM 796 CB SER A 54 4.406 26.621 1.143 1.00 0.00 C ATOM 797 OG SER A 54 4.318 27.271 2.400 1.00 0.00 O ATOM 0 H SER A 54 5.011 26.311 -1.224 1.00 0.00 H new ATOM 0 HA SER A 54 6.387 27.429 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.829 27.175 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.965 25.627 1.212 1.00 0.00 H new ATOM 0 HG SER A 54 3.378 27.333 2.671 1.00 0.00 H new ATOM 803 N GLU A 55 7.105 25.637 2.573 1.00 0.00 N ATOM 804 CA GLU A 55 7.792 24.619 3.360 1.00 0.00 C ATOM 805 C GLU A 55 6.790 23.714 4.071 1.00 0.00 C ATOM 806 O GLU A 55 6.687 22.526 3.766 1.00 0.00 O ATOM 807 CB GLU A 55 8.720 25.275 4.384 1.00 0.00 C ATOM 808 CG GLU A 55 9.678 24.302 5.049 1.00 0.00 C ATOM 809 CD GLU A 55 10.387 24.905 6.246 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.450 25.531 6.053 1.00 0.00 O ATOM 811 OE2 GLU A 55 9.877 24.753 7.376 1.00 0.00 O ATOM 0 H GLU A 55 7.097 26.565 2.997 1.00 0.00 H new ATOM 0 HA GLU A 55 8.387 24.010 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.296 26.058 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.116 25.759 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.128 23.416 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.419 23.973 4.321 1.00 0.00 H new ATOM 818 N GLN A 56 6.056 24.285 5.021 1.00 0.00 N ATOM 819 CA GLN A 56 5.064 23.529 5.776 1.00 0.00 C ATOM 820 C GLN A 56 4.378 22.494 4.891 1.00 0.00 C ATOM 821 O GLN A 56 4.462 21.292 5.145 1.00 0.00 O ATOM 822 CB GLN A 56 4.022 24.474 6.377 1.00 0.00 C ATOM 823 CG GLN A 56 3.463 23.995 7.708 1.00 0.00 C ATOM 824 CD GLN A 56 4.250 24.518 8.893 1.00 0.00 C ATOM 825 OE1 GLN A 56 4.714 25.658 8.891 1.00 0.00 O ATOM 826 NE2 GLN A 56 4.404 23.684 9.915 1.00 0.00 N ATOM 0 H GLN A 56 6.130 25.267 5.286 1.00 0.00 H new ATOM 0 HA GLN A 56 5.579 23.006 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.471 25.458 6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.201 24.594 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.424 24.313 7.797 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.465 22.905 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.002 22.747 9.874 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.924 23.980 10.741 1.00 0.00 H new ATOM 835 N ALA A 57 3.700 22.968 3.851 1.00 0.00 N ATOM 836 CA ALA A 57 3.001 22.083 2.927 1.00 0.00 C ATOM 837 C ALA A 57 3.869 20.886 2.551 1.00 0.00 C ATOM 838 O ALA A 57 3.461 19.736 2.713 1.00 0.00 O ATOM 839 CB ALA A 57 2.583 22.847 1.680 1.00 0.00 C ATOM 0 H ALA A 57 3.620 23.960 3.627 1.00 0.00 H new ATOM 0 HA ALA A 57 2.108 21.708 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.062 22.174 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.919 23.665 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.467 23.250 1.187 1.00 0.00 H new ATOM 845 N HIS A 58 5.067 21.165 2.047 1.00 0.00 N ATOM 846 CA HIS A 58 5.992 20.111 1.647 1.00 0.00 C ATOM 847 C HIS A 58 6.256 19.152 2.804 1.00 0.00 C ATOM 848 O HIS A 58 6.233 17.933 2.632 1.00 0.00 O ATOM 849 CB HIS A 58 7.309 20.716 1.161 1.00 0.00 C ATOM 850 CG HIS A 58 8.365 19.696 0.867 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.856 18.826 1.817 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.023 19.408 -0.280 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.772 18.048 1.268 1.00 0.00 C ATOM 854 NE2 HIS A 58 9.892 18.381 -0.005 1.00 0.00 N ATOM 0 H HIS A 58 5.420 22.112 1.906 1.00 0.00 H new ATOM 0 HA HIS A 58 5.535 19.551 0.831 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.120 21.301 0.261 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.683 21.406 1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.889 19.895 -1.234 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.328 17.272 1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.527 17.946 -0.674 1.00 0.00 H new ATOM 863 N LEU A 59 6.508 19.711 3.983 1.00 0.00 N ATOM 864 CA LEU A 59 6.778 18.905 5.169 1.00 0.00 C ATOM 865 C LEU A 59 5.613 17.966 5.466 1.00 0.00 C ATOM 866 O LEU A 59 5.813 16.796 5.792 1.00 0.00 O ATOM 867 CB LEU A 59 7.038 19.809 6.375 1.00 0.00 C ATOM 868 CG LEU A 59 8.494 20.216 6.607 1.00 0.00 C ATOM 869 CD1 LEU A 59 9.128 20.691 5.309 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.582 21.299 7.673 1.00 0.00 C ATOM 0 H LEU A 59 6.531 20.718 4.143 1.00 0.00 H new ATOM 0 HA LEU A 59 7.666 18.303 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.442 20.715 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.677 19.301 7.269 1.00 0.00 H new ATOM 0 HG LEU A 59 9.044 19.343 6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.164 20.976 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.098 19.887 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.577 21.551 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.625 21.576 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.017 22.174 7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.166 20.924 8.608 1.00 0.00 H new ATOM 882 N SER A 60 4.395 18.486 5.348 1.00 0.00 N ATOM 883 CA SER A 60 3.198 17.694 5.605 1.00 0.00 C ATOM 884 C SER A 60 3.125 16.497 4.662 1.00 0.00 C ATOM 885 O SER A 60 2.460 15.502 4.953 1.00 0.00 O ATOM 886 CB SER A 60 1.946 18.559 5.447 1.00 0.00 C ATOM 887 OG SER A 60 1.704 19.325 6.614 1.00 0.00 O ATOM 0 H SER A 60 4.211 19.452 5.076 1.00 0.00 H new ATOM 0 HA SER A 60 3.250 17.324 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.065 19.223 4.591 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.085 17.923 5.241 1.00 0.00 H new ATOM 0 HG SER A 60 0.900 19.870 6.487 1.00 0.00 H new ATOM 893 N LEU A 61 3.815 16.600 3.531 1.00 0.00 N ATOM 894 CA LEU A 61 3.830 15.527 2.544 1.00 0.00 C ATOM 895 C LEU A 61 5.025 14.604 2.761 1.00 0.00 C ATOM 896 O LEU A 61 4.863 13.404 2.976 1.00 0.00 O ATOM 897 CB LEU A 61 3.871 16.108 1.130 1.00 0.00 C ATOM 898 CG LEU A 61 2.763 17.104 0.782 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.130 17.896 -0.464 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.438 16.381 0.586 1.00 0.00 C ATOM 0 H LEU A 61 4.371 17.416 3.275 1.00 0.00 H new ATOM 0 HA LEU A 61 2.917 14.944 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.833 16.601 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.828 15.284 0.418 1.00 0.00 H new ATOM 0 HG LEU A 61 2.654 17.802 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.330 18.599 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.055 18.444 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.267 17.213 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.661 17.105 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.533 15.660 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.169 15.859 1.504 1.00 0.00 H new ATOM 912 N GLU A 62 6.225 15.175 2.704 1.00 0.00 N ATOM 913 CA GLU A 62 7.447 14.403 2.896 1.00 0.00 C ATOM 914 C GLU A 62 7.270 13.371 4.006 1.00 0.00 C ATOM 915 O GLU A 62 7.926 12.328 4.011 1.00 0.00 O ATOM 916 CB GLU A 62 8.616 15.332 3.230 1.00 0.00 C ATOM 917 CG GLU A 62 8.713 15.683 4.705 1.00 0.00 C ATOM 918 CD GLU A 62 9.946 16.504 5.029 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.018 17.668 4.586 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.839 15.980 5.728 1.00 0.00 O ATOM 0 H GLU A 62 6.376 16.168 2.527 1.00 0.00 H new ATOM 0 HA GLU A 62 7.664 13.877 1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.546 14.859 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.515 16.251 2.652 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.823 16.238 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.727 14.765 5.293 1.00 0.00 H new ATOM 927 N LEU A 63 6.380 13.669 4.946 1.00 0.00 N ATOM 928 CA LEU A 63 6.116 12.768 6.063 1.00 0.00 C ATOM 929 C LEU A 63 5.150 11.661 5.653 1.00 0.00 C ATOM 930 O LEU A 63 5.404 10.482 5.894 1.00 0.00 O ATOM 931 CB LEU A 63 5.544 13.548 7.248 1.00 0.00 C ATOM 932 CG LEU A 63 6.506 14.509 7.946 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.735 15.586 8.695 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.423 13.751 8.895 1.00 0.00 C ATOM 0 H LEU A 63 5.829 14.527 4.957 1.00 0.00 H new ATOM 0 HA LEU A 63 7.059 12.309 6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.682 14.117 6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.178 12.833 7.985 1.00 0.00 H new ATOM 0 HG LEU A 63 7.121 14.992 7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.436 16.261 9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.121 16.149 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.095 15.121 9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.101 14.451 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.824 13.240 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.002 13.018 8.333 1.00 0.00 H new ATOM 946 N GLN A 64 4.041 12.051 5.031 1.00 0.00 N ATOM 947 CA GLN A 64 3.038 11.091 4.587 1.00 0.00 C ATOM 948 C GLN A 64 3.668 10.009 3.716 1.00 0.00 C ATOM 949 O GLN A 64 3.220 8.862 3.713 1.00 0.00 O ATOM 950 CB GLN A 64 1.928 11.803 3.812 1.00 0.00 C ATOM 951 CG GLN A 64 0.596 11.071 3.845 1.00 0.00 C ATOM 952 CD GLN A 64 0.024 10.963 5.245 1.00 0.00 C ATOM 953 OE1 GLN A 64 -0.602 12.036 5.713 1.00 0.00 O flip ATOM 954 NE2 GLN A 64 0.144 9.926 5.898 1.00 0.00 N flip ATOM 0 H GLN A 64 3.815 13.024 4.824 1.00 0.00 H new ATOM 0 HA GLN A 64 2.609 10.617 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.793 12.803 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.241 11.924 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.116 11.591 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.725 10.071 3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.633 9.125 5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.246 9.868 6.839 1.00 0.00 H new ATOM 963 N ARG A 65 4.708 10.381 2.978 1.00 0.00 N ATOM 964 CA ARG A 65 5.399 9.443 2.101 1.00 0.00 C ATOM 965 C ARG A 65 6.031 8.311 2.907 1.00 0.00 C ATOM 966 O ARG A 65 5.907 7.139 2.553 1.00 0.00 O ATOM 967 CB ARG A 65 6.473 10.167 1.289 1.00 0.00 C ATOM 968 CG ARG A 65 6.726 9.547 -0.076 1.00 0.00 C ATOM 969 CD ARG A 65 7.888 10.222 -0.788 1.00 0.00 C ATOM 970 NE ARG A 65 9.138 10.086 -0.046 1.00 0.00 N ATOM 971 CZ ARG A 65 9.510 10.914 0.925 1.00 0.00 C ATOM 972 NH1 ARG A 65 8.732 11.931 1.268 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.663 10.725 1.554 1.00 0.00 N ATOM 0 H ARG A 65 5.091 11.326 2.970 1.00 0.00 H new ATOM 0 HA ARG A 65 4.665 9.015 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.177 11.208 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.404 10.170 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.937 8.484 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.827 9.629 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.007 9.787 -1.781 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.663 11.279 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 65 9.760 9.314 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.845 12.080 0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.020 12.565 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.265 9.944 1.292 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.948 11.361 2.299 1.00 0.00 H new ATOM 987 N ASP A 66 6.709 8.671 3.991 1.00 0.00 N ATOM 988 CA ASP A 66 7.361 7.687 4.847 1.00 0.00 C ATOM 989 C ASP A 66 6.516 6.422 4.962 1.00 0.00 C ATOM 990 O ASP A 66 6.884 5.369 4.443 1.00 0.00 O ATOM 991 CB ASP A 66 7.612 8.275 6.236 1.00 0.00 C ATOM 992 CG ASP A 66 8.117 7.238 7.221 1.00 0.00 C ATOM 993 OD1 ASP A 66 8.694 6.226 6.772 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.935 7.439 8.440 1.00 0.00 O ATOM 0 H ASP A 66 6.821 9.637 4.298 1.00 0.00 H new ATOM 0 HA ASP A 66 8.317 7.424 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.339 9.083 6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.688 8.712 6.615 1.00 0.00 H new ATOM 999 N SER A 67 5.381 6.534 5.645 1.00 0.00 N ATOM 1000 CA SER A 67 4.486 5.399 5.833 1.00 0.00 C ATOM 1001 C SER A 67 4.171 4.730 4.498 1.00 0.00 C ATOM 1002 O SER A 67 4.433 3.542 4.308 1.00 0.00 O ATOM 1003 CB SER A 67 3.190 5.850 6.509 1.00 0.00 C ATOM 1004 OG SER A 67 3.448 6.404 7.787 1.00 0.00 O ATOM 0 H SER A 67 5.060 7.400 6.077 1.00 0.00 H new ATOM 0 HA SER A 67 4.988 4.674 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.688 6.588 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.513 5.002 6.607 1.00 0.00 H new ATOM 0 HG SER A 67 2.604 6.686 8.198 1.00 0.00 H new ATOM 1010 N HIS A 68 3.605 5.502 3.575 1.00 0.00 N ATOM 1011 CA HIS A 68 3.254 4.986 2.257 1.00 0.00 C ATOM 1012 C HIS A 68 4.313 4.010 1.756 1.00 0.00 C ATOM 1013 O HIS A 68 4.021 3.117 0.960 1.00 0.00 O ATOM 1014 CB HIS A 68 3.092 6.136 1.263 1.00 0.00 C ATOM 1015 CG HIS A 68 1.722 6.742 1.266 1.00 0.00 C ATOM 1016 ND1 HIS A 68 1.308 7.994 1.572 1.00 0.00 N flip ATOM 1017 CD2 HIS A 68 0.587 6.037 0.925 1.00 0.00 C flip ATOM 1018 CE1 HIS A 68 -0.055 8.023 1.411 1.00 0.00 C flip ATOM 1019 NE2 HIS A 68 -0.466 6.830 1.020 1.00 0.00 N flip ATOM 0 H HIS A 68 3.380 6.487 3.716 1.00 0.00 H new ATOM 0 HA HIS A 68 2.307 4.454 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.823 6.911 1.494 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.318 5.773 0.260 1.00 0.00 H new ATOM 0 HD1 HIS A 68 1.899 8.771 1.867 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.562 4.999 0.627 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.688 8.882 1.577 1.00 0.00 H new ATOM 1028 N MET A 69 5.544 4.186 2.226 1.00 0.00 N ATOM 1029 CA MET A 69 6.646 3.320 1.825 1.00 0.00 C ATOM 1030 C MET A 69 6.877 2.221 2.857 1.00 0.00 C ATOM 1031 O MET A 69 7.147 1.072 2.507 1.00 0.00 O ATOM 1032 CB MET A 69 7.925 4.139 1.640 1.00 0.00 C ATOM 1033 CG MET A 69 7.942 4.958 0.359 1.00 0.00 C ATOM 1034 SD MET A 69 8.706 4.079 -1.017 1.00 0.00 S ATOM 1035 CE MET A 69 8.051 2.430 -0.772 1.00 0.00 C ATOM 0 H MET A 69 5.803 4.920 2.885 1.00 0.00 H new ATOM 0 HA MET A 69 6.382 2.853 0.876 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.044 4.809 2.492 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.782 3.465 1.642 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.920 5.227 0.091 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.481 5.889 0.535 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.434 1.767 -1.548 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.357 2.058 0.206 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.963 2.459 -0.825 1.00 0.00 H new ATOM 1045 N LYS A 70 6.770 2.581 4.132 1.00 0.00 N ATOM 1046 CA LYS A 70 6.966 1.626 5.216 1.00 0.00 C ATOM 1047 C LYS A 70 6.084 0.396 5.024 1.00 0.00 C ATOM 1048 O LYS A 70 6.509 -0.729 5.284 1.00 0.00 O ATOM 1049 CB LYS A 70 6.658 2.283 6.564 1.00 0.00 C ATOM 1050 CG LYS A 70 5.214 2.117 7.005 1.00 0.00 C ATOM 1051 CD LYS A 70 4.969 2.758 8.361 1.00 0.00 C ATOM 1052 CE LYS A 70 5.588 1.940 9.484 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.832 2.763 10.700 1.00 0.00 N ATOM 0 H LYS A 70 6.548 3.528 4.440 1.00 0.00 H new ATOM 0 HA LYS A 70 8.009 1.309 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.313 1.857 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.890 3.346 6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.552 2.566 6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.967 1.057 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.387 3.765 8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.897 2.857 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.928 1.109 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.529 1.508 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.254 2.169 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.482 3.541 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.931 3.154 11.041 1.00 0.00 H new ATOM 1067 N GLN A 71 4.856 0.620 4.567 1.00 0.00 N ATOM 1068 CA GLN A 71 3.916 -0.471 4.341 1.00 0.00 C ATOM 1069 C GLN A 71 4.357 -1.334 3.164 1.00 0.00 C ATOM 1070 O GLN A 71 4.261 -2.562 3.210 1.00 0.00 O ATOM 1071 CB GLN A 71 2.513 0.082 4.084 1.00 0.00 C ATOM 1072 CG GLN A 71 1.734 0.377 5.356 1.00 0.00 C ATOM 1073 CD GLN A 71 0.923 -0.812 5.833 1.00 0.00 C ATOM 1074 OE1 GLN A 71 -0.264 -0.930 5.530 1.00 0.00 O ATOM 1075 NE2 GLN A 71 1.563 -1.702 6.583 1.00 0.00 N ATOM 0 H GLN A 71 4.489 1.546 4.346 1.00 0.00 H new ATOM 0 HA GLN A 71 3.897 -1.092 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.594 0.997 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.953 -0.635 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.428 0.677 6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.066 1.221 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.548 -1.564 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.070 -2.524 6.932 1.00 0.00 H new ATOM 1084 N LEU A 72 4.842 -0.687 2.110 1.00 0.00 N ATOM 1085 CA LEU A 72 5.298 -1.395 0.919 1.00 0.00 C ATOM 1086 C LEU A 72 6.433 -2.356 1.259 1.00 0.00 C ATOM 1087 O LEU A 72 6.359 -3.550 0.968 1.00 0.00 O ATOM 1088 CB LEU A 72 5.760 -0.399 -0.146 1.00 0.00 C ATOM 1089 CG LEU A 72 6.290 -1.004 -1.446 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.507 -2.256 -1.810 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.224 0.015 -2.574 1.00 0.00 C ATOM 0 H LEU A 72 4.930 0.328 2.056 1.00 0.00 H new ATOM 0 HA LEU A 72 4.461 -1.973 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.924 0.257 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.541 0.227 0.285 1.00 0.00 H new ATOM 0 HG LEU A 72 7.333 -1.283 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.898 -2.673 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.606 -2.992 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.455 -2.002 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.605 -0.433 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.190 0.325 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.830 0.884 -2.315 1.00 0.00 H new ATOM 1103 N LEU A 73 7.482 -1.828 1.880 1.00 0.00 N ATOM 1104 CA LEU A 73 8.633 -2.639 2.263 1.00 0.00 C ATOM 1105 C LEU A 73 8.224 -3.740 3.235 1.00 0.00 C ATOM 1106 O LEU A 73 8.883 -4.776 3.331 1.00 0.00 O ATOM 1107 CB LEU A 73 9.714 -1.760 2.895 1.00 0.00 C ATOM 1108 CG LEU A 73 10.021 -0.449 2.171 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.211 0.249 2.812 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.284 -0.705 0.694 1.00 0.00 C ATOM 0 H LEU A 73 7.560 -0.842 2.129 1.00 0.00 H new ATOM 0 HA LEU A 73 9.033 -3.105 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.413 -1.526 3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.634 -2.340 2.959 1.00 0.00 H new ATOM 0 HG LEU A 73 9.152 0.204 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.415 1.180 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.986 0.466 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.086 -0.399 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.501 0.239 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.136 -1.376 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.404 -1.161 0.241 1.00 0.00 H new ATOM 1122 N LEU A 74 7.130 -3.511 3.954 1.00 0.00 N ATOM 1123 CA LEU A 74 6.631 -4.485 4.919 1.00 0.00 C ATOM 1124 C LEU A 74 5.753 -5.528 4.235 1.00 0.00 C ATOM 1125 O LEU A 74 5.731 -6.693 4.633 1.00 0.00 O ATOM 1126 CB LEU A 74 5.839 -3.780 6.022 1.00 0.00 C ATOM 1127 CG LEU A 74 6.662 -3.189 7.167 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.792 -2.311 8.052 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.311 -4.297 7.984 1.00 0.00 C ATOM 0 H LEU A 74 6.572 -2.660 3.887 1.00 0.00 H new ATOM 0 HA LEU A 74 7.488 -4.992 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.257 -2.978 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.128 -4.491 6.442 1.00 0.00 H new ATOM 0 HG LEU A 74 7.451 -2.570 6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.395 -1.899 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.375 -1.497 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.981 -2.907 8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.893 -3.858 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.538 -4.943 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.968 -4.885 7.343 1.00 0.00 H new ATOM 1141 N ILE A 75 5.033 -5.102 3.202 1.00 0.00 N ATOM 1142 CA ILE A 75 4.157 -6.001 2.460 1.00 0.00 C ATOM 1143 C ILE A 75 4.960 -6.924 1.550 1.00 0.00 C ATOM 1144 O ILE A 75 4.835 -8.146 1.625 1.00 0.00 O ATOM 1145 CB ILE A 75 3.138 -5.219 1.610 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.066 -4.595 2.506 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.504 -6.132 0.571 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.351 -3.425 1.867 1.00 0.00 C ATOM 0 H ILE A 75 5.039 -4.141 2.860 1.00 0.00 H new ATOM 0 HA ILE A 75 3.620 -6.599 3.197 1.00 0.00 H new ATOM 0 HB ILE A 75 3.660 -4.417 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.334 -5.359 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.529 -4.264 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.786 -5.565 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.279 -6.532 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.992 -6.953 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.605 -3.033 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.073 -2.643 1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.859 -3.755 0.952 1.00 0.00 H new ATOM 1160 N GLN A 76 5.784 -6.331 0.693 1.00 0.00 N ATOM 1161 CA GLN A 76 6.609 -7.101 -0.231 1.00 0.00 C ATOM 1162 C GLN A 76 7.245 -8.295 0.473 1.00 0.00 C ATOM 1163 O GLN A 76 7.235 -9.410 -0.047 1.00 0.00 O ATOM 1164 CB GLN A 76 7.696 -6.213 -0.839 1.00 0.00 C ATOM 1165 CG GLN A 76 7.225 -5.412 -2.042 1.00 0.00 C ATOM 1166 CD GLN A 76 8.349 -5.097 -3.009 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.877 -5.987 -3.677 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.722 -3.825 -3.090 1.00 0.00 N ATOM 0 H GLN A 76 5.898 -5.320 0.619 1.00 0.00 H new ATOM 0 HA GLN A 76 5.966 -7.473 -1.029 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.061 -5.526 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.539 -6.837 -1.136 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.448 -5.970 -2.564 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.774 -4.481 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.257 -3.120 -2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.473 -3.553 -3.724 1.00 0.00 H new ATOM 1177 N GLU A 77 7.797 -8.052 1.658 1.00 0.00 N ATOM 1178 CA GLU A 77 8.439 -9.108 2.431 1.00 0.00 C ATOM 1179 C GLU A 77 7.407 -10.101 2.957 1.00 0.00 C ATOM 1180 O GLU A 77 7.656 -11.306 3.003 1.00 0.00 O ATOM 1181 CB GLU A 77 9.228 -8.509 3.598 1.00 0.00 C ATOM 1182 CG GLU A 77 8.350 -7.871 4.662 1.00 0.00 C ATOM 1183 CD GLU A 77 9.112 -7.556 5.934 1.00 0.00 C ATOM 1184 OE1 GLU A 77 9.408 -8.500 6.697 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.412 -6.367 6.167 1.00 0.00 O ATOM 0 H GLU A 77 7.812 -7.134 2.103 1.00 0.00 H new ATOM 0 HA GLU A 77 9.126 -9.639 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.831 -9.292 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.919 -7.760 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.915 -6.953 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.523 -8.541 4.895 1.00 0.00 H new ATOM 1192 N ARG A 78 6.248 -9.586 3.355 1.00 0.00 N ATOM 1193 CA ARG A 78 5.178 -10.427 3.880 1.00 0.00 C ATOM 1194 C ARG A 78 4.594 -11.311 2.782 1.00 0.00 C ATOM 1195 O ARG A 78 3.844 -12.247 3.060 1.00 0.00 O ATOM 1196 CB ARG A 78 4.076 -9.562 4.493 1.00 0.00 C ATOM 1197 CG ARG A 78 4.413 -9.039 5.880 1.00 0.00 C ATOM 1198 CD ARG A 78 4.517 -10.171 6.891 1.00 0.00 C ATOM 1199 NE ARG A 78 4.644 -9.673 8.259 1.00 0.00 N ATOM 1200 CZ ARG A 78 3.638 -9.136 8.941 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.439 -9.028 8.386 1.00 0.00 N ATOM 1202 NH2 ARG A 78 3.832 -8.706 10.181 1.00 0.00 N ATOM 0 H ARG A 78 6.026 -8.591 3.324 1.00 0.00 H new ATOM 0 HA ARG A 78 5.600 -11.069 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.880 -8.717 3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.156 -10.145 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.356 -8.493 5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.647 -8.333 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.634 -10.806 6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.378 -10.794 6.650 1.00 0.00 H new ATOM 0 HE ARG A 78 5.554 -9.741 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.287 -9.358 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.669 -8.615 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.753 -8.788 10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.060 -8.294 10.705 1.00 0.00 H new ATOM 1216 N TRP A 79 4.942 -11.008 1.537 1.00 0.00 N ATOM 1217 CA TRP A 79 4.451 -11.775 0.398 1.00 0.00 C ATOM 1218 C TRP A 79 5.407 -12.913 0.055 1.00 0.00 C ATOM 1219 O TRP A 79 5.026 -14.083 0.070 1.00 0.00 O ATOM 1220 CB TRP A 79 4.268 -10.864 -0.816 1.00 0.00 C ATOM 1221 CG TRP A 79 3.439 -11.481 -1.902 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.508 -12.469 -1.761 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.469 -11.151 -3.295 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.957 -12.774 -2.983 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.529 -11.979 -3.940 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.197 -10.236 -4.060 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.301 -11.918 -5.312 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.970 -10.177 -5.422 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.028 -11.013 -6.037 1.00 0.00 C ATOM 0 H TRP A 79 5.562 -10.237 1.290 1.00 0.00 H new ATOM 0 HA TRP A 79 3.487 -12.204 0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.800 -9.933 -0.496 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.247 -10.606 -1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.243 -12.942 -0.827 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.238 -13.478 -3.150 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.924 -9.587 -3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.576 -12.562 -5.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.528 -9.474 -6.023 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.873 -10.942 -7.103 1.00 0.00 H new ATOM 1240 N LYS A 80 6.651 -12.562 -0.253 1.00 0.00 N ATOM 1241 CA LYS A 80 7.663 -13.553 -0.598 1.00 0.00 C ATOM 1242 C LYS A 80 7.685 -14.686 0.423 1.00 0.00 C ATOM 1243 O LYS A 80 8.052 -15.817 0.101 1.00 0.00 O ATOM 1244 CB LYS A 80 9.044 -12.897 -0.676 1.00 0.00 C ATOM 1245 CG LYS A 80 9.542 -12.366 0.657 1.00 0.00 C ATOM 1246 CD LYS A 80 10.945 -11.795 0.541 1.00 0.00 C ATOM 1247 CE LYS A 80 10.947 -10.471 -0.208 1.00 0.00 C ATOM 1248 NZ LYS A 80 12.255 -10.210 -0.869 1.00 0.00 N ATOM 0 H LYS A 80 6.983 -11.598 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 80 7.410 -13.970 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.761 -13.624 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.007 -12.077 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.863 -11.594 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.535 -13.168 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.364 -11.652 1.537 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.588 -12.508 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.156 -10.477 -0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.723 -9.661 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.216 -9.299 -1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.007 -10.179 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.458 -10.970 -1.550 1.00 0.00 H new ATOM 1262 N ARG A 81 7.288 -14.377 1.653 1.00 0.00 N ATOM 1263 CA ARG A 81 7.262 -15.370 2.720 1.00 0.00 C ATOM 1264 C ARG A 81 6.005 -16.231 2.631 1.00 0.00 C ATOM 1265 O ARG A 81 6.054 -17.442 2.841 1.00 0.00 O ATOM 1266 CB ARG A 81 7.327 -14.684 4.086 1.00 0.00 C ATOM 1267 CG ARG A 81 8.698 -14.116 4.417 1.00 0.00 C ATOM 1268 CD ARG A 81 8.757 -13.603 5.847 1.00 0.00 C ATOM 1269 NE ARG A 81 9.711 -12.507 5.996 1.00 0.00 N ATOM 1270 CZ ARG A 81 11.011 -12.687 6.199 1.00 0.00 C ATOM 1271 NH1 ARG A 81 11.510 -13.913 6.277 1.00 0.00 N ATOM 1272 NH2 ARG A 81 11.816 -11.639 6.325 1.00 0.00 N ATOM 0 H ARG A 81 6.980 -13.447 1.935 1.00 0.00 H new ATOM 0 HA ARG A 81 8.133 -16.015 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.593 -13.879 4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.044 -15.401 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.456 -14.886 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.933 -13.305 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.767 -13.266 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.035 -14.419 6.514 1.00 0.00 H new ATOM 0 HE ARG A 81 9.359 -11.551 5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.895 -14.721 6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.509 -14.048 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.436 -10.694 6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.814 -11.779 6.481 1.00 0.00 H new